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Coumarins are compounds that absorb UV and visible light, which can be seen in numerous colorful and fluorescent coumarins with potential applications. In this study, the production of the 7-(Diethylamino)coumarin-3-carboxylic acid compound was investigated with the development of a green chemistry based-method for obtaining coumarins for use in photocatalytic reactions. It was calculated the detailed thermodynamics of a plausible sequence of steps for the formation of the product by DFT methods. The enclosed conditions produce a moderate yield (-35%). Considering that the reaction is exergonic, it is proposed to explore a higher reaction temperature to propitiate its kinetics and yield.
Organofluorine compounds are frequently found in pharmaceuticals and agrochemicals because the introduction of fluorine atom into organic molecules improves their bioavailability such as lipophilicity and metabolic stability…
Cross-coupling reactions belong to the most important reactions in organic synthesis in industry and academia. We will discuss, how photochemistry can improve the performance of this reaction class…
Computational studies of homogeneous catalysis play an increasingly important role in furthering (and changing) our understanding of catalytic cycles and can help to guide the discovery and evaluation of new catalysts.<span style="font-size:10…